tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate

C24H30N2O4 — CID 11361883

IUPACtert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-15-9-8-14-25-22(27)29-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,8-9,14-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyVMIBDTKPBHMMKI-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.83
Rot. Bonds7

About tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate

tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate (PubChem CID 11361883) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate
PubChem CID11361883
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nametert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-15-9-8-14-25-22(27)29-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,8-9,14-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyVMIBDTKPBHMMKI-UHFFFAOYSA-N
XLogP4.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
CID 6364642
Fmoc-Lys(Boc)-OH
CID 2724628
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630
Fmoc-Gly-OH
CID 93124
N-Fmoc-L-isoleucine
CID 2724629
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CID 100108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate (CID 11361883) is tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate is CC(C)(C)OC(=O)NCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate?
The InChIKey is VMIBDTKPBHMMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-15-9-8-14-25-22(27)29-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,8-9,14-16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate?
tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate has a molecular weight of 410.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butyl]carbamate is sourced from PubChem (CID 11361883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).